N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide

C11H13N3O2S — CID 81169972

IUPACN-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCc1ccon1
InChIInChI=1S/C11H13N3O2S/c1-8(15)13-10-3-5-17-11(10)7-12-6-9-2-4-16-14-9/h2-5,12H,6-7H2,1H3,(H,13,15)
InChIKeyBTXGYUXDDBBCSZ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.98
Rot. Bonds5

About N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 81169972) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide
PubChem CID81169972
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCc1ccon1
InChIInChI=1S/C11H13N3O2S/c1-8(15)13-10-3-5-17-11(10)7-12-6-9-2-4-16-14-9/h2-5,12H,6-7H2,1H3,(H,13,15)
InChIKeyBTXGYUXDDBBCSZ-UHFFFAOYSA-N
XLogP1.98
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386200
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66385180
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66385984
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 66387407
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931
N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
CID 66386316

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide (CID 81169972) is N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCc1ccon1.
What is the InChIKey of N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is BTXGYUXDDBBCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-8(15)13-10-3-5-17-11(10)7-12-6-9-2-4-16-14-9/h2-5,12H,6-7H2,1H3,(H,13,15).
What are the key properties of N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 251.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 81169972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).